e-Drug3D

2176

RILZABRUTINIB

INN
RILZABRUTINIB

cas 1575591-66-0

CLASS

ANTINEOPLASTIC
IMMUNOMODULATING
KINASE INHIBITOR
TREATMENT OF CHRONIC IMMUNE THROMBOCYTOPENIA (ITP)

ROUTE (list)

ORAL

ATC code

PK parameters

F 4.7 PERCENT
Tmax 2 HOUR
VD 149 LITER
Cl 516 LITER / HOUR
PPB 97.5 PERCENT
t1/2 3 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER

Target

TARGET BRUTON TYROSINE KINASE

PDB
7L5O (CRYSTAL STRUCTURE OF THE NONCOVALENTLY BONDED COMPLEX OF RILZABRUTINIB WITH BTK)

Ligand code = R1L (link to the list of PDB complexes)

Download experimental 3D coordinates of R1L with added hydrogens

DrugCentral

Download SDF file

1-Piperidinepropanenitrile,3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-alpha-[2-methyl-2-[4-(3-oxetanyl)-1-piperazinyl]propylidene]-beta-oxo-, (3R)-

Formula:
C36H40FN9O3

Calculated chemical properties:

MW 665.77
NB_atoms 49
XLogP 4.42
PSA 124.557
NB_HD 2
NB_HA 12
fsp3 0.42
Lipinski(0=no;1=yes) 0

FDA
NDA 219685 (label) INN (RILZABRUTINIB) WAYRILZ (GENZYME CORP) APPROVAL= AP YEAR= 2025 NEWMOLECULARENTITY